Literature summary for 1.6.99.1 extracted from

Coyle, C.M.; Cheng, J.Z.; OConnor, S.E.; Panaccione, D.G.
An old yellow enzyme gene controls the branch point between Aspergillus fumigatus and Claviceps purpurea ergot alkaloid pathways (2010), Appl. Environ. Microbiol., 76, 3898-3903.

Cloned(Commentary)

Cloned (Comment)	Organism
expression of N-terminally His6-tagged enzyme in Escherichia coli strain BL21(DE3)	Trypanosoma cruzi

Crystallization (Commentary)

Crystallization (Comment)	Organism
purified enzyme, hanging drop vapor diffusion method, mixing of 0.002 ml of protein solution containing 14 mg/mL in 25 mM Tris-HCl, pH 8.0, containing 100 mM NaCl, and 1 mM 2-mercaptoethanol, with 0002 ml of 28% w/v PEG 1500, and 0.3 M ammonium fluoride, equilibration against 0.5 ml of reservoir solution, 19°C, 10 days, crystalline forms I and II, X-ray diffraction structure determination and analysis at 1.27 A and 2.0 A resolution, respectively	Trypanosoma cruzi

Crystallization (Comment)

Organism

purified enzyme, hanging drop vapor diffusion method, mixing of 0.002 ml of protein solution containing 14 mg/mL in 25 mM Tris-HCl, pH 8.0, containing 100 mM NaCl, and 1 mM 2-mercaptoethanol, with 0002 ml of 28% w/v PEG 1500, and 0.3 M ammonium fluoride, equilibration against 0.5 ml of reservoir solution, 19°C, 10 days, crystalline forms I and II, X-ray diffraction structure determination and analysis at 1.27 A and 2.0 A resolution, respectively

Trypanosoma cruzi

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
additional information	Trypanosoma cruzi	analysis of binding mode of beta-lapachone, a trypanocidal agent, and other naphthoquinones by molecular docking and dynamics: their binding to TcOYE is stabilized mainly by interactions with the isoalloxazine ring from FMN and residues from the active-site pocket	?	-	?

Organism

Organism	UniProt	Comment	Textmining
Trypanosoma cruzi	Q2TJB8	-	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant N-terminally His6-tagged enzyme from Escherichia coli strain BL21(DE3) by affinity chromatography	Trypanosoma cruzi

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
additional information	analysis of binding mode of beta-lapachone, a trypanocidal agent, and other naphthoquinones by molecular docking and dynamics: their binding to TcOYE is stabilized mainly by interactions with the isoalloxazine ring from FMN and residues from the active-site pocket	Trypanosoma cruzi	?	-	?

Subunits

Subunits	Comment	Organism
monomer	TcOYE behaves as a globular monomer in solution	Trypanosoma cruzi

Synonyms

Synonyms	Comment	Organism
old yellow enzyme	-	Trypanosoma cruzi
OYE	-	Trypanosoma cruzi

Cofactor

Cofactor	Comment	Organism	Structure
FMN	prosthetic group, detailed binding mode, overview. TcOYE displays a canonical (alpha/bet)8-barrel fold with a FMN prosthetic group located at the large active-site cavity	Trypanosoma cruzi

General Information

General Information	Comment	Organism
additional information	the enzyme shows a classical (alpha/beta)8 fold with the FMN prosthetic group buried at the positively-charged active-site cleft. In solution, TcOYE behaves as a globular monomer, but it exhibits a molecular envelope larger than that observed in the crystal structure, suggesting intrinsic protein flexibility. TcOYE also possesses characteristic extra barrel elements, including (i) the N-terminal beta-hairpin (residues 10-19) that closes the bottom of the barrel, (ii) the capping subdomain (105-164), which participates in the formation of the large active-site pocket, (iii) the alpha-helical motif (196-222) related to substrate recognition, and (iv) the inner allpha-helix (336-341) that contributes to FMN binding	Trypanosoma cruzi
physiological function	the enzyme is clinically relevant due to its role in the action mechanism of some trypanocidal drugs used in the treatment of Chagas' disease by producing reactive oxygen species	Trypanosoma cruzi